3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide

C13H17F3N2O2 — CID 62837697

IUPAC3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-17-9(2)8-12(19)18-10-6-4-5-7-11(10)20-13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyLHFHZRVVQOOSEN-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.91
Rot. Bonds6

About 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide

3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide (PubChem CID 62837697) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
PubChem CID62837697
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
SMILESCCNC(C)CC(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-3-17-9(2)8-12(19)18-10-6-4-5-7-11(10)20-13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKeyLHFHZRVVQOOSEN-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 62832471
3-(ethylamino)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 62839170
methyl 2-[3-(ethylamino)butanoylamino]benzoate
CID 62838261
3-bromo-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 112683678
3-(ethylamino)-3-[2-(trifluoromethoxy)phenyl]propanoic acid
CID 65236587
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196
3-acetamido-3-(4-methylphenyl)-N-[2-(trifluoromethoxy)phenyl]propanamide
CID 46691343
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
N-(2-ethylphenyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 30644748
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202352
2-(5-methyl-2-propan-2-ylphenoxy)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 18272936
6-oxo-6-[2-(trifluoromethoxy)anilino]hexanoic acid
CID 43529543

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide (CID 62837697) is 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide is CCNC(C)CC(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide?
The InChIKey is LHFHZRVVQOOSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-17-9(2)8-12(19)18-10-6-4-5-7-11(10)20-13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide?
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide has a molecular weight of 290.28 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide is sourced from PubChem (CID 62837697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).